Molecule

ID:64120

General Information
Structure
MolImage
Molecular Formula
C₄H₅IN₂
Molecular Mass
208.00037
Exact Mass
207.94974617
Charge
0
InChI
InChI=1S/C4H5IN2/c1-7-2-4(5)6-3-7/h2-3H,1H3
InChIKey
HUQSHNLGOKQVHA-UHFFFAOYSA-N
Canonic Smiles
Cn1cc(nc1)I
Isomeric Smiles
n1(cc(nc1)I)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
0.96752006
LogD (pH = 7.4)
1.0389526
Log P
1.039984
Molar Refractivity
36.9801
Polarizability
14.336325
Polar Surface Area
17.82
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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